N-(2-pentoxyphenyl)carbamate; 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol; bromide

Systemtic Name: N-(2-pentoxyphenyl)carbamate; 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol; bromide Openeye Name: 2-(1-allylpiperidin-1-ium-1-yl)ethanol; N-(2-pentoxyphenyl)carbamate; bromide CAS Name: N-(2-pentoxyphenyl)carbamate; 2-(1-prop-2-enyl-1-piperidin-1-iumyl)ethanol; bromide IUPAC Name: N-(2-pentoxyphenyl)carbamate; 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol; bromide Traditional Name: 2-(1-allylpiperidin-1-ium-1-yl)ethanol; N-(2-amoxyphenyl)carbamate; bromide Formula: C22H36BrN2O4- MolecularWeight: 472.43624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1NC(=O)[O-].C=CC[N+]1(CCCCC1)CCO.[Br-]

Isomeric SMILES

CCCCCOC1=CC=CC=C1NC(=O)[O-].C=CC[N+]1(CCCCC1)CCO.[Br-]

InChI

InChI=1S/C12H17NO3.C10H20NO.BrH/c1-2-3-6-9-16-11-8-5-4-7-10(11)13-12(14)15;1-2-6-11(9-10-12)7-4-3-5-8-11;/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,14,15);2,12H,1,3-10H2;1H/q;+1;/p-2